Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate
TL;DR: Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate (CAS 357231-33-5) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)benzoate
Also Known As: methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate, methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)benzoate, Methyl 4-(2-cyano-2-ethoxycarbonyl-ethenyl)benzoate, Methyl 4-(2-cyano-3-ethoxy-3-oxo-1-propen-1-yl)benzoate
| Molecular Formula | C14H13NO4 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 1.94328 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.08447 |
| Heavy Atoms | 19 |
| Complexity | 537.5596 |
Chemical Identifiers
| CAS Number | 357231-33-5 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)C(=O)OC)C#N |
Product Overview
Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate (CAS 357231-33-5), with molecular formula C14H13NO4 and molecular weight 259.08 g/mol. IUPAC: methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)benzoate.
Chemical Property Profile of Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate
Property Insights of Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate
The XLogP value of 1.94328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate?
The CAS number of Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate is 357231-33-5.
What is the molecular formula of Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate?
The molecular formula of Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate is C14H13NO4.
What is the molecular weight of Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate?
The molecular weight of Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate is 259.08 g/mol.
Where can I buy Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate?
You can request a quote for Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.